CID 11077019

3-iodo-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C7H5F3IN
SMILES
C1=C(C=C(C=C1N)I)C(F)(F)F
InChI
InChI=1S/C7H5F3IN/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3H,12H2
InChIKey
AGFSYSXYGGUNCD-UHFFFAOYSA-N
Compound name
3-iodo-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

286.9419 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.949176 141.7
[M+Na]+ 309.931118 144.2
[M-H]- 285.934624 134.9
[M+NH4]+ 304.975723 156.7
[M+K]+ 325.905058 147.0
[M+H-H2O]+ 269.939160 130.6
[M+HCOO]- 331.940101 157.3
[M+CH3COO]- 345.955751 191.0
[M+Na-2H]- 307.916566 135.0
[M]+ 286.94135142 133.6
[M]- 286.94244858 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe